SCHEMBL20164796

SCHEMBL20164796

CCCCCC(CC)N(C(=O)C(=O)C(C)CP(=O)(O)O)C(CC)CCCCC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.45
LAP3 P28838 2/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CA1 P00915 2/20 0.37
S1PR2 O95136 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR4 O95977 4/20 0.36
SMPD1 P17405 3/20 0.34
ACE2 Q9BYF1 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16697104 0.74 FDPS (0.47) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL16697383 0.72 FDPS (0.47) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL15282992 0.69 GPR84 (0.41) FDPSCA1ACE2
SCHEMBL17363778 0.69 GPR84 (0.47) CA1ACE2
SCHEMBL9164732 0.68 FDPS (0.52) FDPSLAP3S1PR2S1PR1S1PR3
Phosphoric Acid SCHEMBL11332263 0.68 FDPS (0.53) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL29218658 0.67 GPR84 (0.46) CA1ACE2
SCHEMBL14938306 0.67 FDPS (0.42) FDPSLAP3FNTAFNTBS1PR2
SCHEMBL13515110 0.66 FFAR4 (0.47)
SCHEMBL16697204 0.66 FDPS (0.34) FDPSLAP3CA1SMPD1ACE2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934604-B2 Use of novel compounds for selectively extracting rare earths from aqueous solutions including phosphoric acid and associated extraction method COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-03-02 US disclosed
US-10450629-B2 Use of novel compounds for selectively extracting rare earths from aqueous solutions including phosphoric acid and associated extraction method COMMISSARIAT A L+ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-10-22 US disclosed
US-20180142321-A1 USE OF NOVEL COMPOUNDS FOR SELECTIVELY EXTRACTING RARE EARTHS FROM AQUEOUS SOLUTIONS INCLUDING PHOSPHORIC ACID AND ASSOCIATED EXTRACTION METHOD COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10450629-B2 Use of novel compounds for selectively extracting rare earths from aqueous solutions including phosphoric acid and associated extraction method HRH3, ALK, H1-0 FDPS 2779/4885LAP3 2965/4885FNTA 3186/4885
US-10934604-B2 Use of novel compounds for selectively extracting rare earths from aqueous solutions including phosphoric acid and associated extraction method HRH3, ALK, H1-0 FDPS 2779/4885LAP3 2965/4885FNTA 3186/4885
US-20180142321-A1 USE OF NOVEL COMPOUNDS FOR SELECTIVELY EXTRACTING RARE EARTHS FROM AQUEOUS SOLUTIONS INCLUDING PHOSPHORIC ACID AND ASSOCIATED EXTRACTION METHOD HRH3, ALK, H1-0 FDPS 2779/4885LAP3 2965/4885FNTA 3186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.